Package schrodinger :: Package application :: Package matsci :: Package nano :: Module sheet :: Class HoneycombCell

Class HoneycombCell

object --+
         |
        HoneycombCell

Manage cells in the honeycomb lattice.

Instance Methods

__init__(self, unit_cell_structure, center, growindex1, growindex2)
Create an instance.

createCell(self)
Make a cell.

findNeighboringCells(self, cells, deltas)
For the current cell find the neighboring cells.

makeFragment(self, redundantatoms)
Create the cell fragment to be merged with the honeycomb lattice.

determineLatticeNumbering(self, latticelen)
Determine the map of cell fragment unit cell atom indicies to lattice atom indicies.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

Create an instance.

Parameters:

unit_cell_structure (schrodinger.structure.Structure) - unit cell structure
center (numpy.array) - center of cell
growindex1 (int) - index along first grow vector
growindex2 (int) - index along second grow vector

Overrides: object.__init__

For the current cell find the neighboring cells.

Parameters:

Create the cell fragment to be merged with the honeycomb lattice.

Parameters:

redundantatoms (list of ints) - indicies of redundant atoms present in the cell

Determine the map of cell fragment unit cell atom indicies to lattice atom indicies.

Parameters: